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Information card for entry 7201126
Preview
| Coordinates | 7201126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H44 N3 O11 Tb |
|---|---|
| Calculated formula | C41 H44 N3 O11 Tb |
| SMILES | C1(c2c(O[Tb]34([O]=1)(Oc1c(C(C(C)C)=[O]3)c(c3ccccc3)no1)(Oc1c(C(C(C)C)=[O]4)c(c3ccccc3)no1)([OH2])[OH]CC)onc2c1ccccc1)C(C)C |
| Title of publication | 3-Phenyl-4-acyl-5-isoxazolonate complex of Tb3+ doped into poly-β-hydroxybutyrate matrix as a promising light-conversion molecular device |
| Authors of publication | Biju, Silvanose; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 29 |
| Pages of publication | 5179 |
| a | 8.756 ± 0.001 Å |
| b | 38.268 ± 0.003 Å |
| c | 12.162 ± 0.002 Å |
| α | 90° |
| β | 96.327 ± 0.008° |
| γ | 90° |
| Cell volume | 4050.4 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180342 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/11. |
7201126.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201126.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201126.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201126.cif |
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